(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 2KH
File name: alatis_output_compound.sdf
|
Formula: C9H16N3O14P3 Compound mass: 483.15579999999994 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.34
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [7, 6, 4, 25, 8]
Fragment all atoms: [7, 36, 15, 41, 6, 35, 14, 40, 4, 34, 3, 32, 33, 24, 25, 8, 37, 12]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 2KH | 5W51 5W0N 6I0S 5TWP 5VZG 4NKT 5I49 4Y7U 5VZ7 6E0L 6BM4 5TWR 5VZD 5VZA |
| DUP | 5J2D 3SI6 3UIQ 3TPN 5J2I 4WRK 5J2A 2PFN 1SJN 5HVA 5F9K 2XCE 4M9J 2FMQ 5J2K 2FMS 2PY4 3ZF1 5J2C 2CIC 3TQ3 2OKE 3ZF0 3TPY 2XY3 6BTF 4JWN 3EHW 4OOP 4GV8 3TQ4 5HWU 5NYZ 5HYL 3ZF5 5NZ2 2D4N 5J2J 5MYD 3H6D 5EDD 3SCX 3ZF4 3P48 2HQU 3SQ1 6HDE 2PFO 4GCY 3SQ0 4YD1 5MIL 5CCT 2BT1 1SIX 3ZEZ 5IIN 5IIM 5J2B 3S9H 4JWM 5J29 3TPS 5J2E 2HXD 4R66 3I93 2YAY 1RNJ 3HZA 5J2H 5ECT 3TP1 3C2K 3SJJ 3LOJ 5GNQ 6AKH 5J2F 4M04 1RN8 5J2G 3TPW 4KHQ 4R65 |
| UPR | |
| 1FZ | 4Q45 6M7U 4NXZ 4O5E 6M7O 4Q44 4P2H 4IR1 4MFF 4Z6F 4Z6E 5L1J 4PGQ 5DGA 4YN4 6E3V 5DGB 4Z6D 4R8U 4PGX |
| UNP | 4BR2 4BRK 4BRI |
Citation:
- Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y
Disclaimer:
- The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.